Basic information
- Standard SMILES
Cc1nc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1c(C)noc1C- InChIKey
PLKRYNYJDOUTMP-SUMWQHHRSA-N- Molecular formula
- C21H29N5O2
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 3,5-Dimethyl-isoxazole-4-carboxylic acid [2-methyl-6-((2S,3'R)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)-pyridin-3-yl]-amide
- IUPAC
- 3,5-dimethyl-N-[2-methyl-6-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]-3-pyridinyl]-1,2-oxazole-4-carboxamide
Names & synonyms
SCHEMBL12186080PLKRYNYJDOUTMP-SUMWQHHRSA-N3,5-Dimethyl-isoxazole-4-carboxylic acid [2-methyl-6-((2S,3'R)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)-pyridin-3-yl]-amide
Database identifiers
- PubChem CID
- 54597156
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
1 records
Compound notes
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